570680

Benzene-D₆

anhydrous, ≥99.6 atom % D

• Synonym(s): Hexadeuterobenzene
• Empirical Formula (Hill Notation): C₆D₆
• CAS Number: 1076-43-3
• Molecular Weight: 84.15
• Beilstein/REAXYS Number: 1905426
• EC Number: 214-061-8
• MDL number: MFCD00003010
• UNSPSC Code: 12142201
• PubChem Substance ID: 24880585
• NACRES: NA.11

Properties

• grade: anhydrous
• Quality Level: 100
• isotopic purity: ≥99.6 atom % D
• assay: ≥99.0%
• form: liquid
• expl. lim.: 0.34-6.3 % (lit.)
• technique(s): NMR: suitable
• impurities: <10 ppm water
• refractive index: n20/D 1.497 (lit.)
• bp: 79.1 °C/760 mmHg (lit.)
• mp: 6.8 °C (lit.)
• density: 0.950 g/mL at 25 °C (lit.)
• mass shift: M+6
• SMILES string: [2H]c1c([2H])c([2H])c([2H])c([2H])c1[2H]
• InChI: 1S/C6H6/c1-2-4-6-5-3-1/h1-6H/i1D,2D,3D,4D,5D,6D
• InChI key: UHOVQNZJYSORNB-MZWXYZOWSA-N

Description

General description

Benzene-d₆ (C₆D₆) is deuterated benzene. It is an anhydrous solvent, which minimizes any interference from water peaks. It is useful in performing critical air- and moisture-sensitive NMR analysis. Its Soret coefficient S(T) has been measured by transient holographic grating technique. Its synthesis,¹³C NMR, IR and MS spectra have been reported.

Application

Benzene-d₆ (C₆D₆) may be used in the following:

• Synthesis of isotopically labeled samples.
• As a ¹H and ¹³C-NMR solvent.
• In the internal calibration of benzene stock solution.

Recommended products

Check out ChemisTwin®, our brand new online portal for identity confirmation and quantification of NMR spectra. Learn more or reach out to us for a free trial.

Safety Information

• pictograms: GHS02,GHS08,GHS07
• signalword: Danger
• hcodes: H225,H304,H315,H319,H340,H350,H372,H412
• pcodes: P210 - P273 - P301 + P310 - P303 + P361 + P353 - P305 + P351 + P338 - P331
• Hazard Classifications: Aquatic Chronic 3 - Asp. Tox. 1 - Carc. 1A - Eye Irrit. 2 - Flam. Liq. 2 - Muta. 1B - Skin Irrit. 2 - STOT RE 1
• target_organs: Blood
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 3
• flash_point_f: 12.2 °F - closed cup
• flash_point_c: -11 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter